Update ms2rescore-rs to 0.4.0.post1

recipes/ms2rescore-rs/build.sh

@@ -4,18 +4,10 @@
 # -x = print every executed command
 set -ex
 
-# Add workaround for SSH-based Git connections from Rust/cargo.  See https://github.com/rust-lang/cargo/issues/2078 for details.
-# We set CARGO_HOME because we don't pass on HOME to conda-build, thus rendering the default "${HOME}/.cargo" defunct.
-export CARGO_NET_GIT_FETCH_WITH_CLI=true CARGO_HOME="${BUILD_PREFIX}/.cargo"
-
-# Use a custom temporary directory as home on macOS.
-# (not sure why this is useful, but people use it in bioconda recipes)
-if [ `uname` == Darwin ]; then
-  export HOME=`mktemp -d`
-fi
-
+# build statically linked binary with Rust
+RUST_BACKTRACE=1
 # Build the package using maturin - should produce *.whl files.
-maturin build --interpreter $PYTHON --release
+maturin build --interpreter "${PYTHON}" -b pyo3 --release --strip
 
 # Install *.whl files using pip
-$PYTHON -m pip install target/wheels/*.whl --no-deps --ignore-installed -vv
+$PYTHON -m pip install target/wheels/*.whl --no-deps --no-build-isolation --no-cache-dir -vvv

recipes/ms2rescore-rs/manylinux.patch

@@ -0,0 +1,9 @@
+diff --git a/pyproject.toml b/pyproject.toml
+index 61b4d10..c007322 100644
+--- a/pyproject.toml
++++ b/pyproject.toml
+@@ -18,3 +18,4 @@ test = ["pytest"]
+ [tool.maturin]
+ features = ["pyo3/extension-module"]
+ bindings = "pyo3"
++compatibility = "manylinux2014"

recipes/ms2rescore-rs/meta.yaml

@@ -1,6 +1,6 @@
 {% set name = "ms2rescore-rs" %}
-{% set version = "0.2.0" %}
-{% set sha256 = "561ed92f58fd7ecccc78b3e4b1bc91ffa36d0f2e58d54f7ea317898f3ea55560" %}
+{% set version = "0.4.0.post1" %}
+{% set sha256 = "5453415180e3f58b9498897a34da174a2641500986b953dbc0f6034dc775e099" %}
 
 package:
   name: {{ name|lower }}
@@ -9,10 +9,13 @@ package:
 source:
   url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/ms2rescore_rs-{{ version }}.tar.gz
   sha256: {{ sha256 }}
+  patches:
+    - setup.patch
+    - manylinux.patch  # [linux]
 
 build:
-  number: 1
-  skip: True  # [py < 37]
+  number: 0
+  skip: True  # [py < 38]
   run_exports:
     - {{ pin_subpackage(name|lower, max_pin="x.x") }}
 
@@ -22,27 +25,28 @@ requirements:
     - {{ compiler('rust') }}
     - make
     - cmake
+    - sysroot_linux-64 =2.17 # [linux]
   host:
     - zlib
     - python
     - maturin >=1.5,<2.0
     - pip
+    - sysroot_linux-64 =2.17 # [linux]
   run:
     - python
+    - sysroot_linux-64 =2.17 # [linux]
 
 test:
   imports:
     - ms2rescore_rs
-  commands:
-    - pip check
-  requires:
-    - pip
 
 about:
   home: https://github.com/compomics/ms2rescore-rs
-  summary: "Rust functionality for the MS²Rescore package"
-  license: Apache-2.0
+  summary: "Rust functionality for the MS²Rescore package."
+  license: "Apache-2.0"
+  license_family: APACHE
   license_file: LICENSE
+  dev_url: https://github.com/compomics/ms2rescore-rs
 
 extra:
   recipe-maintainers:

recipes/ms2rescore-rs/setup.patch

@@ -0,0 +1,24 @@
+diff --git a/pyproject.toml b/pyproject.toml
+index 460b2bc..61b4d10 100644
+--- a/pyproject.toml
++++ b/pyproject.toml
+@@ -17,3 +17,4 @@ test = ["pytest"]
+
+ [tool.maturin]
+ features = ["pyo3/extension-module"]
++bindings = "pyo3"
+diff --git a/Cargo.toml b/Cargo.toml
+index 994665b..aa8e064 100644
+--- a/Cargo.toml
++++ b/Cargo.toml
+@@ -14,6 +14,9 @@ default = ["thermo"]
+ thermo = ["mzdata/thermo"]
+
+ [dependencies]
+-pyo3 = "0.20.0"
+ mzdata = "0.33.0"
+ timsrust = "0.3.0"
++
++[dependencies.pyo3]
++version = "0.21.2"
++features = ["auto-initialize", "anyhow"]