Adding 'raspa3' to Conda-forge

recipes/raspa3/bld.bat

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+cmake -G "Ninja Multi-Config" -B build --preset conda_raspa3 -DCMAKE_INSTALL_PREFIX=%PREFIX%
+if errorlevel 1 exit 1
+ninja -C build install
+if errorlevel 1 exit 1

recipes/raspa3/build.sh

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+#!/bin/bash
+cmake -B build --preset conda_raspa3 -DCMAKE_INSTALL_PREFIX=${PREFIX}
+ninja -C build install

recipes/raspa3/conda-forge.yml

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+build_platform:
+  osx_arm64: osx_64
+  linux_aarch64: linux_64
+test: native_and_emulated

recipes/raspa3/conda_build_config.yaml

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+c_compiler:
+  - clang
+c_compiler_version:
+  - 19
+cxx_compiler:
+  - clangxx
+cxx_compiler_version:
+  - 19

recipes/raspa3/meta.yaml

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+{% set name = "raspa3" %}
+{% set version = "v3.0.1" %}
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  url: https://github.com/iRASPA/RASPA3/archive/refs/tags/{{ version }}.tar.gz
+  sha256: 3a2d094bda0cbd48e8ca1760c73bfe70908ad3c154fc7b6f07003dbcad0dd8e4
+
+build:
+  skip: true  # [win]
+  number: 0
+
+requirements:
+  build:
+    - {{ stdlib('c') }}
+    - {{ compiler('c') }}
+    - {{ compiler('cxx') }}
+    - clang-tools
+    - llvm-tools
+    - cmake
+    - ninja
+    - lld
+    - libcxx-devel  # [not win]
+  host:
+    - libcxx
+    - libcxxabi  # [linux]
+    - libgcc  # [linux]
+    - sysroot_linux-64  # [linux]
+    - hdf5
+    - openssl
+    - libcurl
+    - libaec
+    - lapack
+    - blas
+    - libopenblas
+    - zlib
+  run:
+    - sysroot_linux-64  # [linux]
+    - libcxxabi  # [linux]
+    - libgcc  # [linux]
+    - libcxx
+    - hdf5
+    - zlib
+    - openssl
+    - libcurl
+    - libaec
+    - lapack
+    - blas
+    - libopenblas
+
+
+about:
+  home: https://github.com/iraspa/raspa3
+  summary: 'A general purpose classical simulation package'
+  description: |
+    RASPA is a software package for simulating adsorption and 
+    diffusion of molecules in flexible nanoporous materials. 
+    The code implements the latest state-of-the-art algorithms 
+    for Molecular Dynamics and Monte Carlo in various ensembles 
+    including symplectic/measure-preserving integrators, Ewald 
+    summation, Configurational-Bias Monte Carlo, Continuous 
+    Fractional Component Monte Carlo, and Reactive Monte Carlo.
+  license: MIT
+  license_family: MIT
+  license_file: LICENSE.md
+  # The doc_url and dev_url are optional.
+  doc_url: https://iraspa.github.io/RASPA3
+  dev_url: https://github.com/iraspa/raspa3
+
+extra:
+  recipe-maintainers:
+    - dubbelda

recipes/raspa3/run_test.bat

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+echo "hello"

recipes/raspa3/run_test.sh

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+echo "hello"

recipes/raspalib/bld.bat

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+cmake -G "Ninja Multi-Config" -B build --preset conda_raspalib -DCMAKE_INSTALL_PREFIX=%PREFIX%
+if errorlevel 1 exit 1
+ninja -C build install
+if errorlevel 1 exit 1

recipes/raspalib/build.sh

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+#!/bin/bash
+cmake -B build --preset conda_raspalib -DCMAKE_INSTALL_PREFIX=${PREFIX}
+ninja -C build install

recipes/raspalib/conda-forge.yml

@@ -0,0 +1,4 @@
+build_platform:
+  osx_arm64: osx_64
+  linux_aarch64: linux_64
+test: native_and_emulated

recipes/raspalib/conda_build_config.yaml

@@ -0,0 +1,8 @@
+c_compiler:
+  - clang
+c_compiler_version:
+  - 19
+cxx_compiler:
+  - clangxx
+cxx_compiler_version:
+  - 19

recipes/raspalib/meta.yaml

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+{% set name = "raspalib" %}
+{% set version = "v3.0.1" %}
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  url: https://github.com/iRASPA/RASPA3/archive/refs/tags/{{ version }}.tar.gz
+  sha256: 3a2d094bda0cbd48e8ca1760c73bfe70908ad3c154fc7b6f07003dbcad0dd8e4
+
+build:
+  skip: true  # [win]
+  number: 0
+
+requirements:
+  build:
+    - {{ stdlib('c') }}
+    - {{ compiler('c') }}
+    - {{ compiler('cxx') }}
+    - clang-tools
+    - llvm-tools
+    - cmake
+    - ninja
+    - lld
+    - libcxx-devel  # [not win]
+  host:
+    - libcxx
+    - libcxxabi  # [linux]
+    - libgcc  # [linux]
+    - sysroot_linux-64  # [linux]
+    - hdf5
+    - openssl
+    - libcurl
+    - libaec
+    - lapack
+    - blas
+    - libopenblas
+    - zlib
+    - python
+  run:
+    - sysroot_linux-64  # [linux]
+    - libcxxabi  # [linux]
+    - libgcc  # [linux]
+    - libcxx
+    - hdf5
+    - zlib
+    - openssl
+    - libcurl
+    - libaec
+    - lapack
+    - blas
+    - libopenblas
+    - python
+
+
+about:
+  home: https://github.com/iraspa/raspa3
+  summary: 'Python library for raspa3 (a classical simulation package)'
+  description: |
+    RASPA is a software package for simulating adsorption and 
+    diffusion of molecules in flexible nanoporous materials. 
+    The code implements the latest state-of-the-art algorithms 
+    for Molecular Dynamics and Monte Carlo in various ensembles 
+    including symplectic/measure-preserving integrators, Ewald 
+    summation, Configurational-Bias Monte Carlo, Continuous 
+    Fractional Component Monte Carlo, and Reactive Monte Carlo.
+  license: MIT
+  license_family: MIT
+  license_file: LICENSE.md
+  # The doc_url and dev_url are optional.
+  doc_url: https://iraspa.github.io/RASPA3
+  dev_url: https://github.com/iraspa/raspa3
+
+extra:
+  recipe-maintainers:
+    - dubbelda

recipes/raspalib/run_test.bat

@@ -0,0 +1 @@
+echo "hello"

recipes/raspalib/run_test.sh

@@ -0,0 +1 @@
+echo "hello"